CID 11662113

2-[(3r)-1-(2-indan-5-ylethyl)-3-piperidyl]-2,2-diphenyl-acetamide

Structural Information

Molecular Formula
C30H34N2O
SMILES
C1C[C@@H](CN(C1)CCC2=CC3=C(CCC3)C=C2)C(C4=CC=CC=C4)(C5=CC=CC=C5)C(=O)N
InChI
InChI=1S/C30H34N2O/c31-29(33)30(26-11-3-1-4-12-26,27-13-5-2-6-14-27)28-15-8-19-32(22-28)20-18-23-16-17-24-9-7-10-25(24)21-23/h1-6,11-14,16-17,21,28H,7-10,15,18-20,22H2,(H2,31,33)/t28-/m0/s1
InChIKey
SCBAUKCPHMNWNV-NDEPHWFRSA-N
Compound name
2-[(3R)-1-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]piperidin-3-yl]-2,2-diphenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.26712 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.27440 209.0
[M+Na]+ 461.25634 209.1
[M-H]- 437.25984 218.0
[M+NH4]+ 456.30094 217.2
[M+K]+ 477.23028 201.5
[M+H-H2O]+ 421.26438 197.3
[M+HCOO]- 483.26532 221.7
[M+CH3COO]- 497.28097 214.6
[M+Na-2H]- 459.24179 207.2
[M]+ 438.26657 200.9
[M]- 438.26767 200.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.